N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H21NO2S — CID 24515244

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C19H21NO2S/c1-20(12-14-7-9-17(23-2)10-8-14)19(21)16-11-15-5-3-4-6-18(15)22-13-16/h3-10,16H,11-13H2,1-2H3
InChIKeyUXCYBGOFDFIMCL-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 24515244) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID24515244
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C19H21NO2S/c1-20(12-14-7-9-17(23-2)10-8-14)19(21)16-11-15-5-3-4-6-18(15)22-13-16/h3-10,16H,11-13H2,1-2H3
InChIKeyUXCYBGOFDFIMCL-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46436469
(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2715568
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420250
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 155965634
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95964792
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64512377
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839716
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72899466
(3S)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97137497

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 24515244) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CSc1ccc(CN(C)C(=O)C2COc3ccccc3C2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is UXCYBGOFDFIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-20(12-14-7-9-17(23-2)10-8-14)19(21)16-11-15-5-3-4-6-18(15)22-13-16/h3-10,16H,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 24515244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).